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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Apr-2019	/CeO2_surfaces CeO2_111_4x6	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1762.16729355; eV
	17-Apr-2019	/PU1_formation TSurea_110	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Improved Dimer Method	DFT	-	-1698.95851082; eV
	17-Apr-2019	/CeO2_surfaces CeO2_110_3x4	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1453.41194058; eV
	17-Apr-2019	/CeO2_surfaces CeO2_110_3x3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1090.05526455; eV
	17-Apr-2019	/CeO2_surfaces CeO2_110_2x3	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-726.70294359; eV
	17-Apr-2019	/CeO2_surfaces CeO2_100_4x4	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1537.87326345; eV
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/Cat/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311G**	-1179.6893983; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/CO2 CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-188.576708265; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Int2_l Int2_l	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G**	-1690.88640089; Eh
	30-Jan-2019	/Gas_Opt/wB97XD/Reactants/CO2/SOLV SOLV	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-188.5791258; Eh

Results 21251-21260 of 104508 (Search time: 0.013 seconds).